./iterations/neb0_image04_iter292_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.364800496634E+03 0.36480E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.155667211434E+00 -0.36464E+03 -0.35398E+03 869 0.195E+02
DAV: 3 -0.959734023134E+02 -0.96129E+02 -0.95833E+02 656 0.115E+02
DAV: 4 -0.100295173220E+03 -0.43218E+01 -0.43141E+01 720 0.280E+01
DAV: 5 -0.100380588490E+03 -0.85415E-01 -0.85389E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.916632519862E+02 0.87173E+01 -0.31549E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908351719561E+02 0.82808E+00 -0.18200E+00 720 0.655E+00 0.485E+00
DAV: 8 -0.904275604204E+02 0.40761E+00 -0.53484E-01 704 0.445E+00 0.179E+00
DAV: 9 -0.903334280841E+02 0.94132E-01 -0.17147E-01 704 0.197E+00 0.524E-01
DAV: 10 -0.903228526263E+02 0.10575E-01 -0.36800E-02 728 0.110E+00 0.332E-01
DAV: 11 -0.903248051752E+02 -0.19525E-02 -0.68571E-03 696 0.446E-01 0.174E-01
DAV: 12 -0.903278746815E+02 -0.30695E-02 -0.31852E-03 613 0.361E-01 0.117E-01
DAV: 13 -0.903312341543E+02 -0.33595E-02 -0.14935E-03 642 0.280E-01 0.111E-01
DAV: 14 -0.903342459700E+02 -0.30118E-02 -0.15430E-03 877 0.274E-01 0.496E-02
DAV: 15 -0.903364245642E+02 -0.21786E-02 -0.45933E-04 664 0.108E-01 0.399E-02
DAV: 16 -0.903388154610E+02 -0.23909E-02 -0.58888E-04 713 0.147E-01 0.283E-02
DAV: 17 -0.903397755618E+02 -0.96010E-03 -0.10583E-04 680 0.719E-02 0.178E-02
DAV: 18 -0.903403939613E+02 -0.61840E-03 -0.13519E-04 700 0.580E-02 0.945E-03
DAV: 19 -0.903406875252E+02 -0.29356E-03 -0.29102E-05 537 0.317E-02 0.387E-03
DAV: 20 -0.903407926787E+02 -0.10515E-03 -0.13976E-05 466 0.154E-02 0.262E-03
DAV: 21 -0.903408355113E+02 -0.42833E-04 -0.57007E-06 448 0.112E-02 0.130E-03
DAV: 22 -0.903408469075E+02 -0.11396E-04 -0.28859E-06 460 0.722E-03 0.201E-03
DAV: 23 -0.903408485831E+02 -0.16756E-05 -0.87541E-07 488 0.500E-03
1 F= -.90340849E+02 E0= -.90349179E+02 d E =0.249913E-01